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PubMed code 19256534

Compile data set for download or QSAR
Found 5 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Escherichia coli)
BDBM92934
PNG
(1-68A analogue)
Show SMILES OC1C(CO\N=C\c2ccc(O)c(O)c2O)OC(C1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C16H17N3O9/c20-8-2-1-7(11(22)12(8)23)5-17-27-6-9-13(24)14(25)15(28-9)19-4-3-10(21)18-16(19)26/h1-5,9,13-15,20,22-25H,6H2,(H,18,21,26)/b17-5+
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Article
PubMed
n/an/a 2.70E+4n/an/an/an/an/an/a



Duke University



Assay Description
Inhibition assay using E. coli LpxC.


Biochemistry 48: 3068-77 (2009)


Article DOI: 10.1021/bi900167q
BindingDB Entry DOI: 10.7270/Q2NP231V
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Escherichia coli)
BDBM92936
PNG
(1-68Aa analogue)
Show SMILES OC1C(CO\N=C\c2ccc(O)c(O)c2)OC(C1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C16H17N3O8/c20-9-2-1-8(5-10(9)21)6-17-26-7-11-13(23)14(24)15(27-11)19-4-3-12(22)18-16(19)25/h1-6,11,13-15,20-21,23-24H,7H2,(H,18,22,25)/b17-6+
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Article
PubMed
n/an/a 3.00E+4n/an/an/an/an/an/a



Duke University



Assay Description
Inhibition assay using E. coli LpxC.


Biochemistry 48: 3068-77 (2009)


Article DOI: 10.1021/bi900167q
BindingDB Entry DOI: 10.7270/Q2NP231V
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Escherichia coli)
BDBM92935
PNG
(2-68A analogue)
Show SMILES OC1C(CNC(=O)CO\N=C\c2ccc(O)c(O)c2O)OC(C1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C18H20N4O10/c23-9-2-1-8(13(26)14(9)27)5-20-31-7-12(25)19-6-10-15(28)16(29)17(32-10)22-4-3-11(24)21-18(22)30/h1-5,10,15-17,23,26-29H,6-7H2,(H,19,25)(H,21,24,30)/b20-5+
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Article
PubMed
n/an/a 1.20E+5n/an/an/an/an/an/a



Duke University



Assay Description
Inhibition assay using E. coli LpxC.


Biochemistry 48: 3068-77 (2009)


Article DOI: 10.1021/bi900167q
BindingDB Entry DOI: 10.7270/Q2NP231V
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Escherichia coli)
BDBM92937
PNG
(1-68Ac analogue)
Show SMILES OC1C(CO\N=C\c2cccc(O)c2O)OC(C1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C16H17N3O8/c20-9-3-1-2-8(12(9)22)6-17-26-7-10-13(23)14(24)15(27-10)19-5-4-11(21)18-16(19)25/h1-6,10,13-15,20,22-24H,7H2,(H,18,21,25)/b17-6+
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Article
PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



Duke University



Assay Description
Inhibition assay using E. coli LpxC.


Biochemistry 48: 3068-77 (2009)


Article DOI: 10.1021/bi900167q
BindingDB Entry DOI: 10.7270/Q2NP231V
More data for this
Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase


(Escherichia coli)
BDBM92938
PNG
(1-68Ad analogue)
Show SMILES OC1C(CO\N=C\c2cc(O)c(O)c(O)c2)OC(C1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C16H17N3O9/c20-8-3-7(4-9(21)12(8)23)5-17-27-6-10-13(24)14(25)15(28-10)19-2-1-11(22)18-16(19)26/h1-5,10,13-15,20-21,23-25H,6H2,(H,18,22,26)/b17-5+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



Duke University



Assay Description
Inhibition assay using E. coli LpxC.


Biochemistry 48: 3068-77 (2009)


Article DOI: 10.1021/bi900167q
BindingDB Entry DOI: 10.7270/Q2NP231V
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%